| SpectraBase Compound ID | 5gU5L4z3tda |
|---|---|
| InChI | InChI=1S/C12H16/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,7-9H,6,10H2,1-2H3 |
| InChIKey | BQSTVJJQKIGSLL-UHFFFAOYSA-N |
| Mol Weight | 160.26 g/mol |
| Molecular Formula | C12H16 |
| Exact Mass | 160.125201 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IUnIUVftY0c |
|---|---|
| Name | (4-Methyl-3-pentenyl)benzene |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 160.125200515 u |
| Formula | C12H16 |
| InChI | InChI=1S/C12H16/c1-11(2)7-6-10-12-8-4-3-5-9-12/h3-5,7-9H,6,10H2,1-2H3 |
| InChIKey | BQSTVJJQKIGSLL-UHFFFAOYSA-N |
| Molecular Weight | 160.260 g/mol |
| SMILES | C(=CCCC1=CC=CC=C1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970844 |